1-phenyl-2-propylpiperazine

C13H20N2 — CID 70549920

IUPAC1-phenyl-2-propylpiperazine
SMILESCCCC1CNCCN1c1ccccc1
InChIInChI=1S/C13H20N2/c1-2-6-13-11-14-9-10-15(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyIKHBSDRYUXHJLB-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.26
Rot. Bonds3

About 1-phenyl-2-propylpiperazine

1-phenyl-2-propylpiperazine (PubChem CID 70549920) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-phenyl-2-propylpiperazine.

Molecular Properties

Compound Name1-phenyl-2-propylpiperazine
PubChem CID70549920
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-phenyl-2-propylpiperazine
SMILESCCCC1CNCCN1c1ccccc1
InChIInChI=1S/C13H20N2/c1-2-6-13-11-14-9-10-15(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyIKHBSDRYUXHJLB-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propylpiperazine?
The IUPAC name of 1-phenyl-2-propylpiperazine (CID 70549920) is 1-phenyl-2-propylpiperazine.
What is the SMILES notation for 1-phenyl-2-propylpiperazine?
The canonical SMILES for 1-phenyl-2-propylpiperazine is CCCC1CNCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-propylpiperazine?
The InChIKey is IKHBSDRYUXHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-6-13-11-14-9-10-15(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3.
What are the key properties of 1-phenyl-2-propylpiperazine?
1-phenyl-2-propylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propylpiperazine is sourced from PubChem (CID 70549920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).